tert-butyl (2S)-3-oxidanylidene-4-[(2R)-1-oxidanyl-3-phenylmethoxy-propan-2-yl]-2-propyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-3-oxidanylidene-4-[(2R)-1-oxidanyl-3-phenylmethoxy-propan-2-yl]-2-propyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-[(1R)-1-(benzyloxymethyl)-2-hydroxy-ethyl]-3-oxo-2-propyl-piperazine-1-carboxylate CAS Name: (2S)-4-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-3-oxo-2-propyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-3-oxo-2-propylpiperazine-1-carboxylate Traditional Name: (2S)-4-[(1R)-1-(benzoxymethyl)-2-hydroxy-ethyl]-3-keto-2-propyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(CCN1C(=O)OC(C)(C)C)C(CO)COCC2=CC=CC=C2

Isomeric SMILES

CCC[C@H]1C(=O)N(CCN1C(=O)OC(C)(C)C)[C@H](CO)COCC2=CC=CC=C2

InChI

InChI=1S/C22H34N2O5/c1-5-9-19-20(26)23(12-13-24(19)21(27)29-22(2,3)4)18(14-25)16-28-15-17-10-7-6-8-11-17/h6-8,10-11,18-19,25H,5,9,12-16H2,1-4H3/t18-,19+/m1/s1